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{
"id": "mp-1342134",
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"structure_string": "Ba2 Mg3 Ti4 Tl2 O12\n1.0\n-1.941104 1.941104 22.722051\n1.941104 -1.941104 22.722051\n1.941104 1.941104 -22.722051\nBa Mg Ti Tl O\n2 3 4 2 12\ndirect\n0.172548 0.172548 0.000000 Ba\n0.827452 0.827452 0.000000 Ba\n0.078493 0.078493 0.000000 Mg\n0.921507 0.921507 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.529474 0.529474 0.000000 Ti\n0.390312 0.390312 0.000000 Ti\n0.609688 0.609688 0.000000 Ti\n0.470526 0.470526 0.000000 Ti\n0.724380 0.724380 0.000000 Tl\n0.275620 0.275620 0.000000 Tl\n0.902574 0.402574 0.500000 O\n0.031309 0.531309 0.500000 O\n0.225899 0.225899 0.000000 O\n0.468691 0.968691 0.500000 O\n0.774101 0.774101 0.000000 O\n0.597426 0.097426 0.500000 O\n0.097426 0.597426 0.500000 O\n0.350797 0.350797 0.000000 O\n0.402574 0.902574 0.500000 O\n0.531309 0.031309 0.500000 O\n0.968691 0.468691 0.500000 O\n0.649203 0.649203 0.000000 O\n",
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{
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"structure_string": "Fe4 H12 Se6 O24\n1.0\n7.378236 -4.766421 0.000000\n7.378236 4.766421 0.000000\n4.299077 0.000000 7.659966\nFe H Se O\n4 12 6 24\ndirect\n0.399919 0.399919 0.399919 Fe\n0.899919 0.899919 0.899919 Fe\n0.165881 0.165881 0.165881 Fe\n0.665881 0.665881 0.665881 Fe\n0.180478 0.341597 0.815600 H\n0.341597 0.815600 0.180478 H\n0.815600 0.180478 0.341597 H\n0.680478 0.315600 0.841597 H\n0.315600 0.841597 0.680478 H\n0.841597 0.680478 0.315600 H\n0.155521 0.157682 0.859679 H\n0.157682 0.859679 0.155521 H\n0.859679 0.155521 0.157682 H\n0.655521 0.359679 0.657682 H\n0.359679 0.657682 0.655521 H\n0.657682 0.655521 0.359679 H\n0.606223 0.057710 0.678419 Se\n0.057710 0.678419 0.606223 Se\n0.678419 0.606223 0.057710 Se\n0.106223 0.178419 0.557710 Se\n0.178419 0.557710 0.106223 Se\n0.557710 0.106223 0.178419 Se\n0.601356 0.256457 0.512864 O\n0.256457 0.512864 0.601356 O\n0.512864 0.601356 0.256457 O\n0.101356 0.012864 0.756457 O\n0.012864 0.756457 0.101356 O\n0.756457 0.101356 0.012864 O\n0.304321 0.194836 0.535082 O\n0.194836 0.535082 0.304321 O\n0.535082 0.304321 0.194836 O\n0.804321 0.035082 0.694836 O\n0.035082 0.694836 0.804321 O\n0.694836 0.804321 0.035082 O\n0.673163 0.910826 0.561439 O\n0.910826 0.561439 0.673163 O\n0.561439 0.673163 0.910826 O\n0.173163 0.061439 0.410826 O\n0.061439 0.410826 0.173163 O\n0.410826 0.173163 0.061439 O\n0.139900 0.244681 0.912776 O\n0.244681 0.912776 0.139900 O\n0.912776 0.139900 0.244681 O\n0.639900 0.412776 0.744681 O\n0.412776 0.744681 0.639900 O\n0.744681 0.639900 0.412776 O\n",
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"formula_full": "Fe4 H12 Se6 O24",
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},
{
"id": "mp-1095082",
"created_at": "2022-09-04T14:44:41.054815Z",
"structure_string": "In2 Ru6\n1.0\n2.814104 -4.874171 0.000000\n2.814104 4.874171 0.000000\n0.000000 0.000000 4.533002\nIn Ru\n2 6\ndirect\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n0.834758 0.165242 0.250000 Ru\n0.834758 0.669515 0.250000 Ru\n0.330485 0.165242 0.250000 Ru\n0.165242 0.834758 0.750000 Ru\n0.165242 0.330485 0.750000 Ru\n0.669515 0.834758 0.750000 Ru\n",
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{
"id": "mp-779895",
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"structure_string": "Li4 Cr4 P12 O36\n1.0\n5.215908 0.000000 0.000000\n0.000000 12.493117 0.000000\n0.000000 0.000000 12.499056\nLi Cr P O\n4 4 12 36\ndirect\n0.056644 0.250000 0.083649 Li\n0.056644 0.750000 0.416351 Li\n0.943356 0.250000 0.583649 Li\n0.943356 0.750000 0.916351 Li\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.229946 0.000000 0.750000 P\n0.229946 0.500000 0.750000 P\n0.504235 0.634399 0.079425 P\n0.504235 0.134399 0.420575 P\n0.504235 0.865601 0.079425 P\n0.504235 0.365601 0.420575 P\n0.495765 0.634399 0.579425 P\n0.495765 0.365601 0.920575 P\n0.495765 0.134399 0.920575 P\n0.495765 0.865601 0.579425 P\n0.770054 0.000000 0.250000 P\n0.770054 0.500000 0.250000 P\n0.089809 0.075622 0.677678 O\n0.089809 0.424378 0.677678 O\n0.089809 0.575622 0.822322 O\n0.089809 0.924378 0.822322 O\n0.225990 0.126898 0.452238 O\n0.225990 0.626898 0.047762 O\n0.225990 0.373102 0.452238 O\n0.225990 0.873102 0.047762 O\n0.297219 0.116782 0.007270 O\n0.297219 0.383218 0.007270 O\n0.297219 0.616782 0.492730 O\n0.297219 0.883218 0.492730 O\n0.449042 0.250000 0.868879 O\n0.449042 0.750000 0.631121 O\n0.447608 0.563380 0.681240 O\n0.447608 0.063380 0.818760 O\n0.447608 0.936620 0.681240 O\n0.447608 0.436620 0.818760 O\n0.552392 0.563380 0.181240 O\n0.552392 0.436620 0.318760 O\n0.552392 0.063380 0.318760 O\n0.552392 0.936620 0.181240 O\n0.550958 0.750000 0.131121 O\n0.550958 0.250000 0.368879 O\n0.702781 0.383218 0.507270 O\n0.702781 0.616782 0.992730 O\n0.702781 0.116782 0.507270 O\n0.702781 0.883218 0.992730 O\n0.774010 0.873102 0.547762 O\n0.774010 0.626898 0.547762 O\n0.774010 0.126898 0.952238 O\n0.774010 0.373102 0.952238 O\n0.910191 0.424378 0.177678 O\n0.910191 0.575622 0.322322 O\n0.910191 0.075622 0.177678 O\n0.910191 0.924378 0.322322 O\n",
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],
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"formula_full": "Li4 Cr4 P12 O36",
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{
"id": "mp-1209643",
"created_at": "2022-09-04T14:44:31.436840Z",
"structure_string": "Sm12 Sc8 Fe12 O48\n1.0\n-6.398715 6.398715 6.398715\n6.398715 -6.398715 6.398715\n6.398715 6.398715 -6.398715\nSm Sc Fe O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Sm\n0.750000 0.625000 0.875000 Sm\n0.750000 0.125000 0.375000 Sm\n0.125000 0.250000 0.375000 Sm\n0.375000 0.750000 0.125000 Sm\n0.250000 0.875000 0.625000 Sm\n0.875000 0.750000 0.625000 Sm\n0.625000 0.250000 0.875000 Sm\n0.375000 0.125000 0.250000 Sm\n0.625000 0.875000 0.750000 Sm\n0.125000 0.375000 0.750000 Sm\n0.875000 0.625000 0.250000 Sm\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.250000 0.625000 0.375000 Fe\n0.750000 0.375000 0.625000 Fe\n0.750000 0.875000 0.125000 Fe\n0.375000 0.250000 0.625000 Fe\n0.625000 0.750000 0.375000 Fe\n0.250000 0.125000 0.875000 Fe\n0.125000 0.750000 0.875000 Fe\n0.875000 0.250000 0.125000 Fe\n0.625000 0.375000 0.250000 Fe\n0.375000 0.625000 0.750000 Fe\n0.875000 0.125000 0.750000 Fe\n0.125000 0.875000 0.250000 Fe\n0.470756 0.374665 0.289967 O\n0.529244 0.625335 0.710033 O\n0.584698 0.180789 0.210033 O\n0.915302 0.125335 0.596091 O\n0.289967 0.470756 0.374665 O\n0.319211 0.915302 0.289967 O\n0.415302 0.819211 0.789967 O\n0.084698 0.874665 0.403909 O\n0.710033 0.529244 0.625335 O\n0.680789 0.084698 0.710033 O\n0.029244 0.319211 0.903909 O\n0.210033 0.584698 0.180789 O\n0.125335 0.029244 0.210033 O\n0.970756 0.680789 0.096091 O\n0.789967 0.415302 0.819211 O\n0.874665 0.970756 0.789967 O\n0.596091 0.915302 0.125335 O\n0.180789 0.470756 0.596091 O\n0.403909 0.084698 0.874665 O\n0.819211 0.529244 0.403909 O\n0.903909 0.029244 0.319211 O\n0.374665 0.584698 0.903909 O\n0.096091 0.970756 0.680789 O\n0.625335 0.415302 0.096091 O\n0.374665 0.289967 0.470756 O\n0.584698 0.903909 0.374665 O\n0.625335 0.710033 0.529244 O\n0.415302 0.096091 0.625335 O\n0.125335 0.596091 0.915302 O\n0.029244 0.210033 0.125335 O\n0.874665 0.403909 0.084698 O\n0.970756 0.789967 0.874665 O\n0.319211 0.903909 0.029244 O\n0.915302 0.289967 0.319211 O\n0.680789 0.096091 0.970756 O\n0.084698 0.710033 0.680789 O\n0.180789 0.210033 0.584698 O\n0.470756 0.596091 0.180789 O\n0.819211 0.789967 0.415302 O\n0.529244 0.403909 0.819211 O\n0.289967 0.319211 0.915302 O\n0.710033 0.680789 0.084698 O\n0.210033 0.125335 0.029244 O\n0.789967 0.874665 0.970756 O\n0.903909 0.374665 0.584698 O\n0.096091 0.625335 0.415302 O\n0.596091 0.180789 0.470756 O\n0.403909 0.819211 0.529244 O\n",
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{
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{
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{
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{
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"structure_string": "Li8 Ir1 O6\n1.0\n5.285599 -2.735580 0.000000\n5.285599 2.735580 0.000000\n3.869790 0.000000 4.521690\nLi Ir O\n8 1 6\ndirect\n0.658773 0.658773 0.658773 Li\n0.765686 0.484713 0.100747 Li\n0.100747 0.765686 0.484713 Li\n0.484713 0.100747 0.765686 Li\n0.234314 0.515287 0.899253 Li\n0.899253 0.234314 0.515287 Li\n0.341227 0.341227 0.341227 Li\n0.515287 0.899253 0.234314 Li\n0.000000 0.000000 0.000000 Ir\n0.384492 0.763982 0.090402 O\n0.236018 0.909598 0.615508 O\n0.615508 0.236018 0.909598 O\n0.090402 0.384492 0.763982 O\n0.763982 0.090402 0.384492 O\n0.909598 0.615508 0.236018 O\n",
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}